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canSAR1143108
FEATURES
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NAMES
    SMILES
    C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)C5CCCCCC5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cncn1
    InChI
    InChI=1S/C30H41N3O3/c1-29-13-11-23(36-28(35)20-7-5-3-4-6-8-20)16-22(29)9-10-24-25(29)12-14-30(2)26(24)15-21(17-34)27(30)33-19-31-18-32-33/h9,17-20,23-26H,3-8,10-16H2,1-2H3/t23-,24+,25-,26-,29-,30-/m0/s1
    MOLECULAR FORMULA
    C30H41N3O3
    CROSS REFERENCES
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    canSAR1143108

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 491.31
    AlogP 6.14
    HBond donors 0
    HBond acceptors 6
    Atoms 77
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1143108.